N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride

C22H26Cl2FN3O — CID 119656995

IUPACN-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12.Cl.Cl
InChIInChI=1S/C22H24FN3O.2ClH/c1-22(2,13-24)14-26(3)21(27)18-12-19(15-7-5-4-6-8-15)25-20-11-16(23)9-10-17(18)20;;/h4-12H,13-14,24H2,1-3H3;2*1H
InChIKeyZOVISBJZSPCIGH-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.94
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119656995) has the molecular formula C22H26Cl2FN3O and a molecular weight of 438.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
PubChem CID119656995
Molecular FormulaC22H26Cl2FN3O
Molecular Weight438.37 g/mol
Exact Mass437.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12.Cl.Cl
InChIInChI=1S/C22H24FN3O.2ClH/c1-22(2,13-24)14-26(3)21(27)18-12-19(15-7-5-4-6-8-15)25-20-11-16(23)9-10-17(18)20;;/h4-12H,13-14,24H2,1-3H3;2*1H
InChIKeyZOVISBJZSPCIGH-UHFFFAOYSA-N
XLogP4.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119654166
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride
CID 119654204
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
CID 119653488
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 119653124
N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119654838
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride (CID 119656995) is N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is ZOVISBJZSPCIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O.2ClH/c1-22(2,13-24)14-26(3)21(27)18-12-19(15-7-5-4-6-8-15)25-20-11-16(23)9-10-17(18)20;;/h4-12H,13-14,24H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 438.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119656995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).